4-Methyl-1-naphthoic acid

CAT: 0926-FM25619-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FM25619-01Size:25 g

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CAS Number

4488-40-8

Synonyms

4-Methyl-1-naphthalenecarboxylic acid;1-Methyl-4-naphthalenecarboxylic acid;1-Methyl-4-naphthoic acid

MDL Number

MFCD00671557

Smiles

CC1=CC=C (C2=CC=CC=C12) C (=O) O

Molecular Formula

C12H10O2

Molecular Weight

186.21 g/mol

Controlled

Chemical Information

4-Methyl-1-naphthalenecarboxylic acid

CAS Number	4488-40-8
PubChem CID	3014285
IUPAC Name	4-methylnaphthalene-1-carboxylic acid
Molecular Formula	C12H10O2
Molecular Weight	186.21
XLogP	3.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	224

SMILES

CC1=CC=C(C2=CC=CC=C12)C(=O)O

InChI

InChI=1S/C12H10O2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7H,1H3,(H,13,14)

InChIKey

SIVYRLBDAPKADZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4488-40-8

CID: 3014285

Formula: C12H10O2

MW: 186.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.21
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	186.068079557
Monoisotopic Mass	186.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
DDA06203	4- (Dimethylamino) -1-naphthoic acid
HEA77722	4-Propyl-1-naphthoic acid
FN33500	1-Naphthoic acid
FD37009-01	1,4-Dihydroxy-2-naphthoic acid
BAA57391-01	4-Hydroxy-2-naphthoic acid
FT14812-01	1,2,3,4-Tetrahydro-1-naphthoic acid
DAA12346-01	4-Oxo-1,2,3,4-tetrahydro-[1]naphthoic acid
FH24210-01	1-Hydroxy-2-naphthoic acid
BCA93437-01	5-Methoxy-1-naphthoic acid
VAA71779	1-Bromo-2-naphthoic acid

Catalog	Name
MBS6065123-01	4-Methyl-1-naphthoic Acid
PC1018330-01	4-Fluoro-3-methyl-1-naphthoic acid
OR1010537-01	2-Methyl-1-Naphthoic Acid
OR81647-01	8-Methyl-1-naphthoic acid
OR923930-01	1-Naphthoic acid methyl ester
TRC-M264750-25MG	4-Methoxy-1-naphthoic Acid
abx186734-01	4-Chloro-1-naphthoic acid
OR1093969-01	4- (methoxymethyl) -1-naphthoic acid
OR1081458-01	4-Isobutoxy-1-naphthoic acid
OR1028516-01	4-Propyl-1-naphthoic acid